Database Name: BEILSTEIN - BEILSTEIN File of Organic Compounds Description: BEILSTEIN is a major structure and factual database in organic chemistry. The organic substance records contain the critically reviewed and evaluated documents from the Beilstein Handbook of Organic Chemistry covering the chemical literature for the period 1779-1959. In addition, BEILSTEIN also contains organic substance records for unreviewed excerpts from the primary literature until 1991. The substance record contains the BEILSTEIN Registry Number, the CAS Registry Number (R), structure diagram, molecular formula, names, etc., all of which are searchable and displayable. Information on general data, chemical data such as preparations, and numeric property data is also searchable and displayable. The database is in English, except for some text fields with descriptions in German. Subject Coverage: Catalysis; Chemistry; Crystallography; Electrical Properties; Electrochemical Behavior; Electrochemistry; Energy Parameters; Identification of Substance; Magnetic Properties; Materials Science; Mechanical Properties; Multi-Component System Data; Optical Properties; Organic Chemistry; Physical Properties; Property Data; Reaction Information; Spectral Data; State of Aggregation; Structure Parameters; Structures (Chemical); Synthesis and Reaction; Temperature-Dependent Properties; Thermal Properties; Thermodynamic Properties; Thermodynamics; Transport Phenomena Sources: Beilstein Handbook of Organic Chemistry (Main volume and Supplements 1-4); excerpts from scientific literature for Supplements 5-6 (1960-1991) File Data: 6,777,157 substance records (03/96); updated irregularly Language: English and German User Aids: BEILSTEIN Database Description; BEILSTEIN Workshop Manual (available from the supplier); Registry: Dictionary Searching; Building and Searching Structures on STN; online helps (HELP DIRECTORY lists all help messages available); STNGUIDE; NUMERIGUIDE Database Producer: Beilstein Chemiedaten und Software GmbH Beilstein Institut fur Literatur der Organischen Chemie Varrentrappstr. 40-42 D-60486 Frankfurt Germany STNmail: HLPBEILK Phone: (+49) 69/7917-258 800-275-6094 Telefax: (+49) 69/7917-636 e-mail: HELPDESK@beilstein.com WWW: http:/www.beilstein.com Copyright holder Database Supplier: Beilstein Informationssysteme GmbH Varrentrappstr. 40-42 D-60486 Frankfurt Germany STNmail: HLPBEILK Phone: (+49) 69/7917-258 Telefax: (+49) 69/7917-636 e-mail: HELPDESK@beilstein.com WWW: http:/www.beilstein.com Search Fields There are no fields that allow left truncation in this file. Substance Identifying Information SEARCH FIELD NAME | SEARCH | SEARCH | DISPLAY | CODE | EXAMPLE | CODES ==============================+==========+===============+============== Basic Index (contains single |None (or |S ETHYL |AUN, BRN, BF, words from BF, CDER, CN, CNS,| /BI |S C4H9N5 |CDER, CN, CT, CT, CTM, ECOL, INP, PRE.RGT, | |S ELECTRICAL |CTM, ECOL, PRE.EDT, PUR, REA.PRO, | | CONDUCTIVITY |ECOL, INP, MF, REA.RP, REA.RGT, REA.SUB, | |S ETHYL (S) |PRE, PUR, REA, TOX, USC, as well as | | TRIAZOLE |RN, SY, TOX, molecular formulas, Beilstein| |S DIMETHYL (L) |USC Registry Numbers, and CAS | | PENTAN? | Registry Numbers) (1,2)) | |S 130733 | | |S 89123-39-7 | ------------------------------+----------+---------------+-------------- Atom Count (3) |/ATC |S 34-36/ATC |Not displayed BEILSTEIN Citation |/SO |S 4-26-00-01087|SO | | /SO | BEILSTEIN Preferred Registry |/BPR |S 106-24-1/BPR |BPR Number | | | BEILSTEIN Registry Number (2) |/BRN |S 130733/BRN |BRN CAS Registry Number |/RN |S 89123-39-7/RN|RN CAS Registry Number Counter |/RN.CNT |S 3/RN.CNT |Not displayed (3) | | | Charge (3) |/CHA |S -2/CHA |LSF Chemical Name (1) |/CN |S TETRAHYDRO-FU|CN, AUN, SY | | RAN/CN | Chemical Name Segment |/CNS |S ANDROSTAN/CNS|CN, AUN, SY (contains segments from the | | | CN, AUN, and SY names) | | | Component Beilstein Registry |/CBRN |S 1098214/CBRN |CBRN Number (3) | | | Component Molecular Formula |/CMF |S C5H5N/CMF |CMF | |S C5 H5 N/CMF | Controlled Term (4) |/CT |S CRYSTAL |CT | | PHASE/CT | Controlled Term of |/CTM |S DIFFUSION/CTM|CTM Multi-Component Systems (4) | | | Element Count (specific) (3) |/Element |S 4/C AND 5/N |Not displayed | Symbo | | Element Count (total) (3) |/ELC |S 9-12/ELC |Not displayed Element Ratio (3) |/ELR.XX |S 2/ELR.HC AND |Not displayed | | 0.5/ELR.OC | Element Symbol (specific) |/ELS |S O/ELS AND |Not displayed | | SE/ELS | Field Availability (Preferred |/FA (or |S IRS/FA |FA Property Name) | /PPN) | | Field Not Availability |/FNA |S ALCOHOL/CNS |Not displayed | | AND (120/BP OR| | | BP/FNA) | Formula Weight (3) (Molecular |/FW (or |S 127.15/FW |FW Weight) | /MW) | | Lawson Number (3) |/LN |S 30303/LN |LN Lawson Number Counter (3) |/LN.CNT |S 292/LN AND |LN | | 301/LN AND | | | LN.CNT>4 | Linearized Structure Formula |/LSF |S C4H4TN3O/LSF |LSF Molecular Formula |/MF |S C4 H9 N5/MF |MF | |S C4H9N5 | | |S C4H9N5.H3O4P | | | /MF | Periodic Group |/PG |S (A3 AND A6) |Not displayed | | /PG | Property Hierarchy |/PH |S THERMAL |Property Field | | CONDUCTIVITY | | | /PH | Stereo Family (3) |/SF |S 36641/SF |SF (1) The CN field contains, if available, the Chemical Name (CN), the Synonym (SY), and the AUTONOM Name (AUN) fields. (2) Data in BF, ECOL, INP, PUR, TOX, and USC may be in German. (3) Numeric search field that may be searched using numeric operators or ranges. Bibliographic information SEARCH FIELD NAME | SEARCH | SEARCH | DISPLAY | CODE | EXAMPLE | CODES ==============================+==========+===============+============== Author (1) |/AU |S JONES/AU |Reference(s) Controlled Term to Unchecked |/CT |S UNCHECKED |CTUNCH Data | | DATA/CT | | |S CTUNCH/FA | Crossfile Reference |/XREF |S ALDRICH/XREF |XREF | |S S450162/XREF | International Standard |/ISN |S CPBTAL/ISN |Reference(s) Document Number (CODEN) | | | Journal Title |/JT |S TETRAHEDRON |Reference(s) | | /JT | Language (code and text) |/LA |S FRENCH/LA |Reference(s) | |S FR/LA | Other Source |/OS |S FLUKA/OS |OS | |S E.MERCK, | | | DARMSTADT/OS | Patent Number |/PN |S 150598/PN |Reference(s) | |S DE1001259/PN | Publication Year (2) |/PY |S 1989-1990/PY |Reference)s) (1) Presently only surnames are searchable. (2) Numeric search field that may be searched using numeric operators or ranges. Limiting Search Codes SEARCH FIELD NAME | SEARCH | SEARCH | DISPLAY | CODE | EXAMPLE | CODES =============================+===========+===============+============== Answers completely iterated |/COMPLETE |S L4/COM (2) |Not Displayed | (1) | | Answers incompletely iterated|/INCOMPLETE|S L4/INC (2) |Not Displayed | (1) | | (1) The code may be abbreviated to the first three letters. (2) Only an L-number for an answer set created in BEILSTEIN may be limited. Structure Search Fields STRUCTURE SEARCH FIELD |STRUCTURE SEARCH EXAMPLES ===========================================+========================= L-number of a structure built using the |SEARCH L1 CSS FUL STRUCTURE command or uploaded from STN |S L1 NOT L2 Express (Boolean logic allowed between | the L-numbers) (1) | -------------------------------------------+-------------------------- L-numbers of screen sets created using the |S L3 OR L4 SCREEN command (Boolean logic allowed | between the L-numbers) (1) | -------------------------------------------+-------------------------- L-numbers of structures built using the |S L1 NOT L3 STRUCTURE command or uploaded from STN | Express combined with L-numbers of screen | sets created using the SCREEN command | (Boolean logic allowed between the | L-numbers) (1) | (1) The L-number answer set from a structure search may be combined with dictionary or factual terms, e.g., S L1 AND AMINO or S L3 AND IR?/FA. Structure Search Types STRUCTURE | DEFINITION |SEARCH| SEARCH SEARCH TYPE | | CODE | EXAMPLES ============+========================+======+=================== Substructure|Search for substances |SSS |SEARCH L1 SSS FUL (default) | that match the query. | |S L2 OR L3 SSS SAM | Substitution is allowed| |S L7 SSS RAN | at all open positions. | | ------------+------------------------+------+------------------- Closed |Search for substances |CSS |SEARCH L1 CSS FUL Substructure| that match the query | |S L2 OR L3 CSS | exactly. Substitution | |S L4 NOT L5 CSS RAN | is allowed at positions| | | opened by CONNECT. | | ------------+------------------------+------+------------------- Family |Search for substances |FAM |S L6 FAM FUL | that match the query | | | exactly. Additional | | | components may be | | | retrieved. | | ------------+------------------------+------+------------------- Exact |Search for substances |EXA |SEA L5 EXA FUL | that match the query | | | exactly. | | Structure Search Scopes STRUCTURE | DEFINITION |SEARCH | SEARCH SEARCH SCOPE | | CODE | EXAMPLES =============+==========================+=======+=================== Sample |Search a fixed 5% of the |SAM |SEARCH L3 EXA SAM (default) | file. | |S L6 NOT L7 SSS SAM -------------+--------------------------+-------+------------------- Full |Search 100% of the file. |FUL |S L5 OR L8 SSS FUL -------------+--------------------------+-------+------------------- Range |Search a user-specified |RAN |S L4 RAN=(5471081,) | portion of the file. | |S L3 FAM RAN=(77542 | | | , 80001) -------------+--------------------------+-------+------------------- Subset Sample|Search a fixed sample of |SUB SAM|S L7 CSS SUB=L5 SAM | an answer set created by | | | a search in BEILSTEIN. | | -------------+--------------------------+-------+------------------- Subset Range |Search a user-specified |SUB RAN|S L3 SUB=L2 RAN=(,72810) | portion of an answer set | | | created by a search in | | | BEILSTEIN. | | -------------+--------------------------+-------+------------------- Subset Full |Search 100% of an answer |SUB FUL|S L8 SUB=L6 FAM FUL | set created by a search | | | in BEILSTEIN. | | Property Search Fields Chemical Data PROPERTY |DFLT | SEARCH | SEARCH |DISPLAY SEARCH FIELD NAME |UNIT | CODE | EXAMPLE | CODES =============================+=====+=========+=================+======== Isolation from Natural |- |/INP |S ATROPA |INP Product (2) | | | BELLADON?/INP | Keyword |- |/INP.KW |S HANDBOOK/INP.KW|INP Preparation |- |/FA |S PRE/FA |PRE By-Product |- |/PRE.BPRO|S 3407003 |PRE | | | /PRE.BPRO | Keyword |- |/PRE.KW |S HANDBOOK/PRE.KW|PRE Reagent |- |/PRE.RGT |S ACETAMIDE |PRE | | | /PRE.RGT | Starting Material (Educt |- |/PRE.SM |S 506502/PRE.SM |PRE | | (or |S 2-INDOL? | | | /PRE.EDT| /PRE.EDT | | | ) | | Yield (1) |% |/PRE.YD |S 70/PRE.YD |PRE Purification |- |/PUR |S ETHANOL/PUR |PUR Keyword |- |/PUR.KW |S UNCHECKED |PUR | | | /PUR.KW | Reaction |- |/FA |S REA/FA |REA Keyword |- |/REA.KW |S HANDBOOK/REA.KW|REA Pressure (1) |Torr |/REA.P |S 760/REA.P |REA Reaction Partner |- |/REA.RP |S 103233/REA.RP |REA Reagent |- |/REA.RGT |S L-SELEC? |REA | | | /REA.RGT | Product |- |/REA.PRO |S 3680043/REA.PRO|REA Subject |- |/REA.SUB |S EQUILIBRIUM |REA | | | CONSTANT/REA.SUB| Temperature (1) |Cel |/REA.T |S REA.T<=2 |REA (1) Numeric field that may be searched using numeric operators or ranges. (2) Data in this field may be in German. Electrical and Magnetic Data PROPERTY |DFLT | SEARCH | SEARCH |DISPLAY SEARCH FIELD NAME |UNIT | CODE | EXAMPLE | CODES =============================+=====+=========+=================+======== Controlled Term to Electrical|- |/CT |S DIELECTRIC |CTELE Data | | | LOSS/CT | | | |S CTELE/FA | Controlled Term to Magnetic |- |/CT |S MAGNETIC |CMAG Data | | | MOMENT/CT | | | |S CTMAG/FA | Dielectric Constant (1) |none |/DIC |S 3.4-4.8/DIC |DIC Frequency (1) |Hz |/DIC.FREQ|S 1000/DIC.FREQ |DIC Keyword |- |/DIC.KW |S 2.2/DIC (NOTP) |DIC | | | RAN?/DIC.KW | Range (1) |none |/DIC.RAN |S 2.2/DIC (P) |DIC | | | DIC.RAN<=.2 | Temperature (1) |Cel |/DIC.T |S 18-20/DIC.T |DIC Dielectric Static Constant |none |/DISC |S 6.9/DISC |DISC (1) | | | | Keyword |- |/DISC.KW |S 2.7/DISC (P) |DISC | | | EXACT/DISC.KW | Range (1) |none |/DISC.RAN|S 2.3/DISC (P) |DISC | | | DISC.RAN<.1 | Temperature (1) |Cel |/DISC.T |S 20/DISC.T |DISC Magnetic Susceptibility (2) |cm**3|/MSUS |S -30.7/MSUS |MSUS |/mol*| | | |E6 | | | Keyword |- |/MSUS.KW |S EXACT/MSUS.KW |MSUS Range (1) |cm**3|/MSUS.RAN|S MSUS.RAN<=1 |MSUS |/mol*| | | |E6 | | | Temperature (1) |Cel |/MSUS.T |S 16.9-19/MSUS.T |MSUS (1) Numeric field that may be searched using numeric operators or ranges. Electrochemical Behaviour PROPERTY |DFLT | SEARCH | SEARCH |DISPLAY SEARCH FIELD NAME |UNIT | CODE | EXAMPLE | CODES =============================+=====+=========+=================+======== Controlled Term to |- |/CT |S AUTOPROTOLYSIS |CTECB Electrochemical Behaviour | | | /CT | | | |S CTECB/FA | Dissociation Exponent (1) |none |/DE |S 1.51/DE |DE Group |- |/DE.GRP |S OH/DE.GRP |DE Method |- |/DE.MET |S POTENTIOM? |DE | | | /DE.MET | Solvent |- |/DE.SOL |S H2O/DE.SOL |DE Temperature (1) |Cel |/DE.T |S 20-22/DE.T |DE Type |- |/DE.TYP |S A!APPARENT |DE | | | /DE.TYP | Enthalpy of Dissociation (1) |J/mol|/HDIS |S HDIS>0 |HDIS Keyword |- |/HDIS.KW |S HANDBOOK |HDIS | | | /HDIS.KW | Temperature (1) |Cel |/HDIS.T |S 25-30/HDIS.T |HDIS Isoelectric Point (1) |none |/IEP |S 6.3/IEP |IEP Keyword |- |/IEP.KW |S 6.3/IEP (P) |IEP | | | EXAC T/IEP.KW | Solvent |- |/IEP.SOL |S ETHANOL/IEP.SOL|IEP Polarographic Half-Wave |V |/PHWP |S PHWP>0 |PHWP Potential (1) | | | | Keyword |- |/PHWP.KW |S HANDBOOK |PHWP | | | /PHWP.KW | Solvent |- |/PHWP.SOL|S ACETIC ACID |PHWP | | | /PHWP.SOL | Redox Potential (1) |V |/RDXP |S 1.02/RDXP |RDXP Keyword |- |/RDXP.KW |S HANDBOOK |RDXP | | | /RDXP.KW | Solvent |- |/RDXP.SOL|S BENZENE |RDXP | | | /RDXP.SOL | (1) Numeric field that may be searched using numeric operators or ranges. General Data PROPERTY |DFLT | SEARCH | SEARCH |DISPLAY SEARCH FIELD NAME |UNIT | CODE | EXAMPLE | CODES =============================+=====+=========+=================+======== Biological Function (2) |- |/BF |S ANTI-FUNGAL/BF |BF Keyword |- |/BF.KW |S UNCHECKED/BF.KW|BF Chemical Derivative |- |/CDER |S PHENYLHYDRAZ? |CDER | | | /CDER | | | |S 5704352/CDER | Keyword |- |/CDER.KW |S HANDBOOK |CDER | | | /CDER.KW | Controlled Term to General |- |/CT |S STRUCTURAL |CTGEN Data | | | DATA/CT | | | |S CTGEN/FA | Ecological Data (2) |- |/ECOL |S CITRUS |ECOL | | | FRUIT#/ECOL | Keyword |- |/ECOL.KW |S UNCHECKED |ECOL | | | /ECOL.KW | Purity of Substance (1) |none |/PURS |S 4.5/PURS |PURS Keyword |- |/PURS.KW |S UNCHECKED |PURS | | | /PURS.KW | Related Structure |- |/FA |S RSTR/FA |RSTR Keyword |- |/RSTR.KW |S HANDBOOK |RSTR | | | /RSTR.KW | Toxicity (2) |- |/TOX |S CARCINO?/TOX |TOX Keyword |- |/TOX.KW |S UNCHECKED |TOX | | | /TOX.KW | Use of Compound (2) |- |/USC |S KORROSIONSINHIB|USC | | | ITOR/USC | Keyword |- |/USC.KW |S UNCHECKED |USC | | | /USC.KW | (1) Numeric field that may be searched using numeric operators or ranges. (2) Data in this field may be in German. Mechanical Properties PROPERTY |DFLT | SEARCH | SEARCH |DISPLAY SEARCH FIELD NAME |UNIT | CODE | EXAMPLE | CODES =============================+=====+=========+=================+======== Controlled Term to Mechanical|- |/CT |S INTERNAL |CTMEC Properties | | | PRESSURE/CT | | | |S CTMEC/FA | Crystal Density (1) |g/cm*|/DEN |S 1.2590/DEN |CDEN |*3 | | | Liquid Density (1) |g/cm*|/DEN |S 1.2169/DEN |LDEN |*3 | | | Keyword |- |/DEN.KW |S L1 (P) |LDEN | | | EXACT/DEN.KW | Temperature (1) |Cel |/DEN.T |S 1.2/DEN (P) |LDEN | | | 20/DEN.T | Linear Expansion Coefficient |1/K |/LEC |S 10.934/LEC |LEC (1) | | | | Keyword |- |/LEC.KW |S EXPERIMENTAL |LEC | | | /LEC.KW | Temperature (1 |Cel |/LEC.T |S 21-22/LEC.T |LEC Molar Volume (1) |cm**3|/MVOL |S 36/MVOL |MVOL |/mol | | | Keyword |- |/MVOL.KW |S 36/MVOL (P) |MVOL | | | EXACT/MVOL.KW | Pressure (1) |Torr |/MVOL.P |S 760/MVOL.P |MVOL Temperature (1) |Cel |/MVOL.T |S 20-25/MVOL.T |MVOL Surface Tension (1) |g/s**|/ST |S 30.6-33.8/ST |ST |2 | | | Keyword |- |/ST.KW |S 20=20 |RI Wavelength (1) |nm |/RI.W |S 589/RI.W |RI (1) Numeric field that may be searched using numeric operators or ranges. Spectral Data PROPERTY |DFLT | SEARCH | SEARCH |DISPLAY SEARCH FIELD NAME |UNIT | CODE | EXAMPLE | CODES =============================+=====+=========+=================+======== Controlled Term to Coupling |- |/CT |S SPIN-SPIN |CTCPL Phenomena | | | COUPLING | | | | CONSTANTS/C | | | |S CTCPL/FA | Controlled Term to Electronic|- |/CT |S OSCILLATOR |CTESP Spectrum | | | STRENGTH/CT | | | |S CTESP/FA | Controlled Term to Emission |- |/CT |S TRIBOLUMINESCEN|CTEMS Spectrum | | | CE/CT | | | |S CTEMS/FA | Controlled Term to ESR |- |/CT |S ELDOR/CT |CTESR Spectrum | | |S CTESR/FA | Controlled Term to Mass |- |/CT |S FRAGMENTATION |CTMS Spectrum | | | /CT | | | |S CTMS/FA | Controlled Term to NMR |- |/CT |S DYNAMIC NMR/CT |CTNMR Spectrum | | |S CTNMR/FA | Controlled Term to NQR |- |/CT |S NUCLEAR |CTNQR Spectrum | | | QUADRUPOLE | | | | RESONANCE/CT | | | |S CTNQR/FA | Controlled Term to Other |- |/CT |S ESCA/CT |CTOSM Spectroscopic Methods | | |S CTOSM/FA | Controlled Term to Rotational|- |/CT |S STARK EFFECT/CT|CTROT Spectrum | | |S CTROT/FA | Controlled Term to |- |/CT |S FERMI-RESONANCE|CTVIB Vibrational Spectrum | | | /CT | | | |S CTVIB/FA | Electronic Absorption Maximum|nm |/EAM |S 420-449/EAM |EAM (1) | | | | Extinction/Absorption |1/mol|/EAM.EAC |S 8.39/EAM.EAC |EAM Coefficient (1) |*cm | | | Keyword |- |/EAM.KW |S HANDBOOK |EAM | | | /EAM.KW | Solvent |- |/EAM.SOL |S PETROLEUM |EAM | | | /EAM.SOL | Electronic Absorption |nm |/EAS |S 200-340/EAS |EAS Spectrum (1) | | | | Keyword |- |/EAS.KW |S RANGE/EAS.KW |EAS | | | (P) 300/EAS | Range (1) |nm |/EAS.RAN |S EAS.RAN<=300 |EAS | | | AND EAM=31 | Solvent |- |/EAS.SOL |S ETHANOL/EAS.SOL|EAS Fluorescence Maximum (1) |nm |/FLM |S 459.6/FLM |FLM Keyword |- |/FLM.KW |S EXPERIMENTAL |FLM | | | /FLM.KW | Solvent |- |/FLM.SOL |S PENTANE/FLM.SOL|FLM Fluorescence Spectrum (1) |nm |/FLS |S 430-640/FLS |FLS Keyword |- |/FLS.KW |S HANDBOOK |FLS | | | /FLS.KW | Range (1) |nm |/FLS.RAN |S FLS.RAN<=200 |FLS | | | AND FLM=538.79 | Solvent |- |/FLS.SOL |S GLYCEROL |FLS | | | /FLS.SOL | Infrared Maximum (1) |cm**-|/IRM |S 775/IRM |IRM |1 | | | Keyword |- |/IRM.KW |S HANDBOOK |IRM | | | /IRM.KW | Range (1) |cm**-|/IRM.RAN |S 100/IRM.RAN |IRM |1 | | | Solvent |- |/IRM.SOL |S NUJOL/IRM.SOL |IRM Infrared Spectrum (1) |cm**-|/IRS |S 526/IRS |IRS |1 | | | Keyword |- |/IRS.KW |S RANGE/IRS.KW |IRS Range (1) |cm**-|/IRS.RAN |S 2467/IRM AND |IRS |1 | | IRS.RAN<=10 | Solvent |- |/IRS.SOL |S KBR/IRS.SOL |IRS NMR Absorption |- |/FA |S NMRA/FA |NMRA Keyword |- |/NMRA.KW |S HANDBOOK |NMRA | | | /NMRA.KW | Nucleus |- |/NMRA.NUC|S 13C/NMRA.NUC |NMRA Solvent |- |/NMRA.SOL|S CDCL3/NMRA.SOL |NMRA NMR Spectrum |- |/FA |S NMRS/FA |NMRS Keyword |- |/NMRS.KW |S HANDBOOK |NMRS | | | /NMRS.KW | Nucleus |- |/NMRS.NUC|S 1H/NMRS.NUC |NMRS Solvent |- |/NMRS.SOL|S CHCL3/NMRS.SOL |NMRS Phosphorescence Maximum (1) |nm |/PHM |S 523/PHM |PHM Keyword |- |/PHM.KW |S EXPERIMENTAL |PHM | | | /PHM.KW | Solvent |- |/PHM.SOL |S ETHANOL/PHM.SOL|PHM Phosphorescence Spectrum (1) |nm |/PHS |S 460-600/PHS |PHS Keyword |- |/PHS.KW |S RANGE/PHS.KW |PHS Range (1) |nm |/PHS.RAN |S PHS.RAN<300 |PHS | | | AND PHM>500 | Solvent |- |/PHS.SOL |S METHANOL |PHS | | | /PHS.SOL | Raman Maximum |- |/FA |S RAM/FA |RAM Keyword |- |/RAM.KW |S HANDBOOK |RAM | | | /RAM.KW | Note (2) |- |/RAM.NTE |S INTENSIT? |RAM | | | /RAM.NTE | Raman Spectrum |- |/FA |S RAS/FA |RAS Keyword |- |/RAS.KW |S HANDBOOK/RAS.KW|RAS Note (2) |- |/RAS.NTE |S CCL4/RAS.NTE |RAS (1) Numeric field that may be searched using numeric operators or ranges. (2) Data in this field may be in German. Structure and Energy Parameters PROPERTY |DFLT | SEARCH | SEARCH |DISPLAY SEARCH FIELD NAME |UNIT | CODE | EXAMPLE | CODES =============================+=====+=========+=================+======== Bond Moment |- |/FA |S BM/FA |BM Keyword |- |/BM.KW |S EXPERIMENTAL |BM | | | /BM.KW | Controlled Term to |- |/CT |S CONFORMER |CTCFM Conformation | | | EQUILIBRIUM/CT | | | |S CTCFM/FA | Controlled Term to Coupling |- |/CT |S SPIN-SPIN COUP |CTCPL Phenomena | | | COUPLING | | | | CONSTANTS/CT | | | |S CTCPL/FA | Controlled Term to Electrical|- |/CT |S ATOM |CTELP Polarizability | | | POLARIZATION/CT | | | |S CTELP/FA | Controlled Term to Molecular |- |/CT |S FORCE |CTMEN Energy | | | CONSTANTS/CT | | | |S CTMEN/FA | Controlled Term to Skeletal |- |/CT |S ELECTRON |CTSKC Characteristics | | | DISTRIBUTION/CT | | | |S CTSKC/FA | Dipole Moment (1) |D |/DM |S 4.98/DM (P) |DM | | | 25/DM.T | Keyword |- |/DM.KW |S 4.98/DM (P) |DM | | | EXACT/DM.KW | Method |- |/DM.MET |S DIELECTRIC? |DM | | | /DM.MET | Range (1) |D |/DM.RAN |S 3/DM (P) |DM | | | DM.RAN<=.1 | Solvent |- |/DM.SOL |S BENZENE/DM.SOL |DM Temperature (1) |Cel |/DM.T |S 2.63/DM (P) |DM | | | 30/DM.T | Energy Barrier of |J/mol|/EBC |S 200/EBC |EBC Conformation (1) | | | | Bond Type |- |/EBC.BT |S AR-CH2/EBC.BT |EBC Keyword |- |/EBC.KW |S HANDBOOK/EBC.KW|EBC Energy of Dissociation (1) |J/mol|/EDIS |S 316103/EDIS |EDIS Bond Type |- |/EDIS.BT |S C-O/EDIS.BT |EDIS Keyword |- |/EDIS.KW |S HANDBOOK |EDIS | | | /EDIS.KW | Ionization Potential (1) |eV |/IP |S IP>8 |IP Keyword |- |/IP.KW |S EXPERIMENTAL |IP | | | /IP.KW | Method |- |/IP.MET |S PHOTOIONIZA? |IP | | | /IP.MET | Molar Polarization (1) |cm**3|/MPOL |S 61.6/MPOL |MPOL |/mol | | | Keyword |- |/MPOL.KW |S HANDBOOK |MPOL | | | /MPOL.KW | Molecular Rotational Constant|MHz |/MRC |S 0/MRC |MRC (1) | | | | Keyword |- |/MRC.KW |S EXPERIMENTAL |MRC | | | /MRC.KW | Moment of Inertia (1) |g*/cm|/MI |S MI>=1.2E-38 |MI |**2 | | | Keyword |- |/MI.KW |S HANDBOOK/MI.KW |MI Nuclear Quadrupole Coupling |Hz |/NQC |S NQC<6660 |NQC Constant (1) | | | | Keyword |- |/NQC.KW |S HANDBOOK |NQC | | | /NQC.KW | Nucleus |- |/NQC.NUC |S 14N/NQC.NUC |NQC Optical Anisotropy (1) |none |/OA |S 90735 |HFOR Temperature (1) |Cel |/HFOR.T |S 15-18/HFOR.T |HFOR Enthalpy of Fusion (1) |J/mol|/HFUS |S 1373.54/HFUS |HFUS Keyword |- |/HFUS.KW |S EXACT/HFUS.KW |HFUS Enthalpy of Hydrogenation (1)|J/mol|/HHDG |S 153362/HHDG |HHDG Chemical Name |- |/HHDG.CN |S VALERIC ACID |HHDG | | | /HHDG.CN | Keyword |- |/HHDG.KW |S HANDBOOK |HHDG | | | /HHDG.KW | Temperature (1) |Cel |/HHDG.T |S 81.9/HHDG.T |HHDG Enthalpy of Phase Transition |J/mol|/HPT |S 669.05/HPT |HPT (1) | | | | Keyword |- |/HPT.KW |S EXACT/HPT.KW |HPT Enthalpy of Sublimation (1) |J/mol|/HSUB |S 78711.76/HSUB |HSUB Keyword |- |/HSUB.KW |S HANDBOOK |HSUB | | | /HSUB.KW | Temperature (1) |Cel |/HSUB.T |S 25/HSUB.T |HSUB Enthalpy of Vaporization (1) |J/mol|/HVAP |S 98808.39/HVAP |HVAP Keyword |- |/HVAP.KW |S EXPERIMENTAL |HVAP | | | /HVAP.KW | Pressure (1) |Torr |/HVAP.P |S 60/HVAP.P |HVAP Temperature (1) |Cel |/HVAP.T |S 142.0-142.3 |HVAP | | | /HVAP.T | Entropy (1) |J/mol|/SREF |S 7/SREF |SREF |*K | | | Keyword |- |/SREF.KW |S UNCHECKED |SREF | | | /SREF.KW | Pressure (1) |Torr |/SREF.P |S 760/SREF |SREF Temperature (1) |Cel |/SREF.T |S 25-100/SREF.T |SREF Entropy of Formation (1) |J/mol|/SFOR |S 274/SFOR |SFOR |*K | | | Keyword |- |/SFOR.KW |S HANDBOOK |SFOR | | | /SFOR.KW | Pressure (1) |Torr |/SFOR.P |S SFOR.P>=760 |SFOR Temperature (1) |Cel |/SFOR.T |S 25/SFOR.T |SFOR Gibbs Energy of Formation (1)|J/mol|/GFOR |S -1564606/GFOR |GFOR Keyword |- |/GFOR.KW |S UNCHECKED |GFOR | | | /GFOR.KW | Pressure (1) |Torr |/GFOR.P |S GFOR.P>=760 |GFOR Temperature (1) |Cel |/GFOR.T |S 24.9/GFOR.T |GFOR Heat Capacity (CP) (1) |J/mol|/CP |S 491.92/CP |CP |*K | | | Keyword |- |/CP.KW |S 1.25 |CV (1) Numeric field that may be searched using numeric operators or ranges. Transport Phenomena PROPERTY |DFLT | SEARCH | SEARCH |DISPLAY SEARCH FIELD NAME |UNIT | CODE | EXAMPLE | CODES =============================+=====+=========+=================+======== Bulk Viscosity (1) |g/cm*|/BV |S BV>0.05 |BV |s | | | Keyword |- |/BV.KW |S EXACT/BV.KW |BV Range (1) |g/cm*|/BV.RAN |S BV.RAN<=.1 |BV |s | | | Temperature (1) |Cel |/BV.T |S 30/BV.T |BV Controlled Term to Transport |- |/FA |S CTTRAM/FA |CTTRAM Phenomena | | | | Dynamic Viscosity (1) |g/cm*|/DV |S 0.167/DV (P) 2 |DV |s | |5/DV.T | Keyword |- |/DV.KW |S RANGE/DV.KW |DV Range (1) |g/cm*|/DV.RAN |S DV.RAN<5 |DV |s | | | Temperature (1) |Cel |/DV.T |S 30-35/DV.T |DV Kinematic Viscosity (1) |cm**2|/KV |S 0.42/KV (P) 37 |KV |/s | |.8/KV.T | Keyword |- |/KV.KW |S EXACT/KV.KW |KV Range (1) |cm**2|/KV.RAN |S KV.RAN<=.001 |KV |/s | | | Temperature (1) |Cel |/KV.T |S 0.77/KV (P) |KV | | | 99/KV.T | Self-Diffusion (1) |cm**2|/SDIF |S 242000/SDIF |SDIF |/s | | | Keyword |- |/SDIF.KW |S HANDBOOK |SDIF | | | /SDIF.KW | Temperature (1) |Cel |/SDIF.T |S SDIF.T>80 |SDIF Thermal Conductivity (1) |J/cm*|/TCND |S TCND>=400 |TCND |s*K | | | Keyword |- |/TCND.KW |S UNCHECKED |TCND | | | /TCND.KW | Temperature (1) |Cel |/TCND.T |S 50-150/TCND.T |TCND (1) Numeric field that may be searched using numeric operators or ranges. DISPLAY and PRINT Formats Any combination of display fields and formats may be used to display or print answers. Multiple codes must be separated by commas or spaces. The fields are displayed or printed in the order requested. The default format is QRD (Query Related Data), providing information on Identification of Substance (IDE) plus those display fields in which your search terms appear (HIT). Hit-term highlighting is available for fields in the IDE format and in SF. Highlighting must be ON during SEARCH in order to use the HIT, OCC, and QRD formats. FORMAT | CONTENT | EXAMPLES =======+====================================+============== ADSM |Adsorption Data of Multicomponent |D ADSM | System | ASSM |Association Data of Multicomponent |D ASSM 5 | System | AUN |Autonom Name |D AUN AZE |Azeotrope of Multicomponent System |D AZE BF |Biological Function |D 1,10 BF BM |Bond Moment |D 1 10 BM BP |Boiling Point |D BP BPR |Beilstein Preferred Registry Number |D RN BPR BRN |Beilstein Registry Number |D BRN BSPM |Boundary Surface Phenomena of |DISPLAY BSPM |Multicomponent System | BV |Bulk Viscosity |D BV CBRN |Component Beilstein Registry Number |D CBRN CDEN |Crystal Density |D CDEN CDER |Chemical Derivative |D CDER CDIC |Circular Dichroism |D CDIC CFM |Conformation |D CFM CLP |Crystal Lattice Parameter |D CLP CMC |Critical Micelle Concentration of |D CMC | Multicomponent System | CMF |Component Molecular Formula |D MF CMF CN |Chemical Name (contains AUN and SY, |D CN | if available) | CP |Heat Capacity Cp |D CP CP0 |Heat Capacity Cp0 |D CP0 CPD |Crystal Property Description |D CPD CPL |Coupling Phenomena |D CPL CRD |Critical Density |D CRD CRP |Critical Pressure |D CRP CRT |Critical Temperature |D CRT CRV |Critical Volume |D CRV CSG |Crystal Space Group |D CSG CSYS |Crystal System |D CSYS CTADSM |Controlled Term for Adsorption Data |D CTADSM | of Multicomponent System | CTASSM |Controlled Term for Association Data|D CTASSM | of Multicomponent System | CTBSPM |Controlled Term for Boundary Surface|D CTBSPM | Phenomena | CTCRY |Controlled Term for Crystal Phase |D CTCRY CTECB |Controlled Term for Electrochemical |D CTECB | Behaviour | CTELE |Controlled Term for Electrical Data |D CTELE CTELP |Controlled Term for Electrical |D CTELP | Polarizability | CTEMS |Controlled Term for Emission |D CTEMS | Spectrum | CTENEM |Controlled Term for Energetic Data |D CTENEM | of Multicomponent System | CTESP |Controlled Term for Electronic |D CTESP | Spectrum | CTESR |Controlled Term for Electron Spin |D CTESR | Resonance | CTGAS |Controlled Term for Gas Phase |D CTGAS CTGASM |Controlled Term for Gas Phase System|D CTGASM | Data of Multicomponent System | CTGEN |Controlled Term for General Data |D CTGEN CTLIQ |Controlled Term for Liquid Phase |D CTLIQ CTLLSM |Controlled Term for Liquid/Liquid |D CTLLSM | System Data | CTLSSM |Controlled Term for Liquid/Solid |D CTLSSM | System Data | CTLVSM |Controlled Term for Liquid/Vapor |D CTLVSM | System Data | CTMAG |Controlled Term for Magnetic Data |D CTMAG CTMEC |Controlled Term for Mechanical |D CTMEC | Properties | CTMEN |Controlled Term for Molecular Energy|D CTMEN CTMS |Controlled Term for Mass Spectrum |D CTMS CTNMR |Controlled Term for NMR Data |D CTNMR CTNQR |Controlled Term for Nuclear |D CTNQR | Quadrupole Resonance | CTOPT |Controlled Term for Optical Data |D CTOPT CTOSM |Controlled Term for Other |D CTOSM | Spectroscopic Methods | CTP |Crystal Transition Point |D CTP CTROT |Controlled Term for Rotational |D CTROT | Spectrum | CTSKC |Controlled Term for Skeletal |D CTSKC | Characteristics | CTSOLM |Controlled Term for Solution |D CTSOLM | Behaviour | CTTRAM |Controlled Term for Transport |D CTTRAM | Phenomena | CTUNCH |Controlled Term of Unchecked Data |D CTUNCH CTVIB |Controlled Term for Vibrational |D CTVIB | Spectrum | CV |Heat Capacity Cv |D CV DE |Dissociation Exponent |D DE DIC |Dielectric Constant |D DIC DISC |Dielectric Static Constant |D DISC DM |Dipole Moment |D DM DP |Decomposition Point |D DP DV |Dynamic Viscosity |D DV EAM |Electronic Absorption Maximum |D EAM EAS |Electronic Absorption Spectrum |D EAS EBC |Energy Barrier of Conformation |D EBC ECOL |Ecology Data |D ECOL EDIS |Energy of Dissociation |D EDIS ENEM |Energetic Data of Multicomponent |D L8 ENEM | Systems | ESR |Electron Spin Resonance |D ESR EZP |Energy of Zero Point |D EZP FLM |Fluorescence Maximum |D FLM FLS |Fluorescence Spectrum |D FLS FW (MW)|Formula Weight (Molecular Weight) |D FW GASM |Gas Phase System Data of |D L3 GASM | Multicomponent Systems | GFOR |Gibbs Energy of Formation |D GFOR HCOM |Enthalpy of Combustion |D HCOM HDIS |Enthalpy of Dissociation |D HDIS HFOR |Enthalpy of Formation |D HFOR HFUS |Enthalpy of Fusion |D HFUS HHDG |Enthalpy of Hydrogenation |D HHDG HPT |Enthalpy of Phase Transition |D HPT HSUB |Enthalpy of Sublimation |D HSUB HVAP |Enthalpy of Vaporization |D HVAP IEP |Isoelectric Point |D IEP INP |Isolation of Substance |D L5 1,5 INP (ISO) | | IP |Ionization Potential |D IP IRM |Infrared Maximum |D IRM IRS |Infrared Spectrum |D IRS KV |Kinematic Viscosity |D KV LDEN |Liquid Density |D LDEN LEC |Linear Expansion Coefficient |D LEC LLSM |Liquid/Liquid System Data |D LLSM LN |Lawson Number |D LN STR LSF |Linearized Structure Formula |D LSF LSSM |Liquid/Solid System Data |D LSSM LTP |Liquid Transition Point |D LTP MF |Molecular Formula |D MF MI |Moment of Inertia |D MI MP |Melting Point |D MP MPOL |Molar Polarization |D MPOL MRC |Molecular Rotational Constant |D MRC MSUS |Magnetic Susceptibility |D MSUS MUT |Mutarotation |D MUT MVOL |Molar Volume |D MVOL NMRA |NMR Absorption |D NMRA NMRS |NMR Spectrum |D NMRS NQC |Nuclear Quadrupole Coupling Constant|D NQC NTE |Note (General Comments) |D NTE OA |Optical Anisotropy |D OA ORD |Optical Rotation Dispersion |D ORD ORP |Optical Rotatory Power |D ORP OS |Other Source |D OS PHM |Phosphorescence Maximum |D PHM PHS |Phosphorescence Spectrum |D PHS PHWP |Polarographic Half-Wave Potential |D PHWP PRE |Preparation Data |DIS PRE 1-3 PUR |Purification |D PUR PURS |Purity of Substance |D L4 3 PURS QM |Quadrupole Moment |D QM RAM |Raman Maximum |D RAM RAS |Raman Spectrum |D RAS RDXP |Redox Potential |D RDXP REA |Reaction Data |DIS REA 1-3 RI |Refractive Index |D RI ROT |Rotational Spectrum |D ROT RN |CAS Registry Number |D RN RSI |Related Stereoisomer |D RSI RSTR |Related Structure |D RSTR SDIF |Self-Diffusion |D SDIF 1-20 (DIF) | | SF |Stereo Family |D SF SFOR |Entropy of Formation |D SFOR SKC |Skeletal Characteristics |D SKC SLB |Solubility of Multicomponent System |D SLB SLBP |Solubility Product of Multicomponent|D SLBP | System | SO |Beilstein Citation |D SO SP |Sublimation Point |D SP SREF |Entropy |D SREF ST |Surface Tension |D ST STR |Structure Image |D STR SY |Synonym |D SY TCND |Thermal Conductivity |D TCND (CND) | | TP |Triple Point |D TP TRAM |Transport Phenomena of |DIS TRAM 17 | Multicomponent System | TOX |Toxicity |D TOX USC |Use of Compound |D USC VP |Vapor Pressure |D VP XREF |Crossfile Reference |D SO XREF -------+------------------------------------+-------------- ALL |All display fields (IDE, XREF, GEN, |DISPLAY ALL | CHE, PHY) | CHE |Chemical Data (SYN, REA) |D CHE L5 1-4 SYN |Synthesis Data (INP, PRE, PUR) |D SYN GEN |General Data (CTGEN, PBA, RCP, PURS)|D GEN PBA |Physiological Behaviour and |D PBA | Application (USC, TOX, BF, ECOL) | RCP |Related Compounds (CDER, RSTR) |D RCP IDE |Identification of Substance (BRN, |D IDE | MF, LSF, CN, SY, AUN, FW, SO, NTE, | | LN, RN, BPR, RSI, OS, STR) | IND |All Controlled Terms (CT, CTM, plus |D IND 1-8 | References) | PHY |Physical Properties (SEP, SAG, MEC, |D L2 PHY | TRA, THE, OPT, SPE, MAG, ELE, ECB, | | CTUNCH, MCS) | ECB |Electrochemical Behaviour (DE, HDIS,|DIS L3 ECB | IEP, RDXP, PHWP, CTECB) | ELE |Electrical Data (DIC, DISC, CTELE) |D ELE MAG |Magnetic Data (MSUS, CTMAG) |D MAG MCS |Multicomponent System Data (SOLM, |DIS L3 MCS 1-4 | CTLLSM, CTLSSM, LVSM, CTGASM, | | CTTRAM, CTENEM, CTBSPM, CTADSM, | | CTASSM) | LVSM|Liquid/Vapor System Data of |D L2 LVSM | Multicomponent System (CTLVSM, AZE)| SOLM|Solution Behaviour of Multicomponent|D SOLM L1 1-35 | System (CTSOLM, CMC, SLB, SLBP) | MEC |Mechanical Properties (DEN, MVOL, |D MEC L17 | LEC, ST, CTMEC) | DEN |Density (LDEN, CDEN) |D DEN OPT |Optical Data (RI, ORP, MUT, CDIC, |D L1 OPT 1-10 | ORD, CTOPT) | SAG |State of Aggregation (CRY, LIQ, GAS)|D SAG L1 CRY |Crystal Phase (CSYS, CSG, CLP, CPD, |D CRY | MP, DP, SP, TP, CTP, CTCRY) | GAS |Gas Phase (CRD, CRP, CRT, CRV, VP, |D 2-7 GAS | CTGAS) | LIQ |Liquid State (BP, LTP, CTLIQ) |D L2 10-20 LIQ SEP |Structure and Energy Parameters |D SEP | (CTCFM, CTSKC, ELM, ELP, CPL, MEN) | CPL |Coupling Phenomena (NQC, CTCPL) |D CPL ELM |Electrical Moment (DM, QM, BM) |D ELM 1-20 ELP |Electrical Polarizability (MPOL, OA,|DIS ELP | CTELP) | MEN |Molecular Energy (MRC, MI, EBC, |D L1 MEN | EDIS, IP, CTMEN) | SPE |Spectral Data (NMR, CTESR, CTNQR, |D SPE L7 | CTROT, VIB, ESP, EMS, OSM) | EMS |Emission Spectrum (FLS, FLM, PHS, |D EMS | PHM, CTEMS) | ESP |Electronic Spectrum (EAS, EAM, |D L2 10 ESP | CTESP) | NMR |Nuclear Magnetic Resonance Spectrum |D NMR 1-20 | (NMRS, NMRA, CTNMR) | OSM |Other Spectroscopic Methods (CTMS, |D OSM L6 1-4 | CTOSM) | VIB |Vibrational Spectrum (IRS, IRM, RAS,|DIS L5 VIB | RAM, CTVIB) | THE |Thermodynamic Data (CAL, HCP, THF) |D THE CAL |Calorific Data (HFUS, HSUB, HPT, |DIS L5 CAL | HVAP, CTCAL) | HCP |Heat Capacity (CP, CP0, CV) |D HCP 1-5 THF |Thermodynamic Functions (SREF, EZP, |D THF | HFOR, GFOR, SFOR, HCOM, HHDG) | TRA |Transport Phenomena (VIS, SDIF, |D L1 TRA | TCND) | VIS |Viscosity (DV, KV, BV) |D 3,7 L5 -------+------------------------------------+-------------- CT |Controlled Term (All controlled |D CT | term fields available except CTM) | CTM |Controlled Term for Multicomponent |D CTM | System (All controlled term fields | | for multicomponent systems | | available) | -------+------------------------------------+-------------- QRD |Query Related Data (default) (IDE, |D | HIT) | SCAN |MF, LSF, STR (random display without|D SCAN | answer number) | TRIAL |BRN, MF, LSF, CN, SY, FW, NTE, RN, |D TRI 1-30 | FA | -------+------------------------------------+-------------- IDETAB |Table format for BRN, MF, FA, OCC, |D IDETAB 1-5 | BPR | -------+------------------------------------+-------------- HIT |All fields containing hit terms |D HIT 1-5 OCC |Number of occurrences of hit terms |D L1 OCC | and fields in which they occur | Features: SELECT and SORT Fields The SELECT command is used to create E-numbered lists of terms taken from the specified field in an answer set. The SORT command is used to rearrange the search results in either alphabetic or numeric order of the specified field(s). Field Name Field Code SELECT SORT Autonom Name AUN Y N Beilstein Citation SO Y Y Beilstein Preferred Registry Number BPR Y N Beilstein Registry Number BRN Y N CAS Registry Number RN Y Y Chemical Name CN Y Y Component Beilstein Registry Number CBRN Y (2) N Component Molecular Formula CMF Y (2) Formula Weight FW Y Y Lawson Number LN Y Y Linearized Structure Formula LSF Y N Molecular Formula MF Y (default) N Molecular Weight MW Y Y Note NTE Y (2) N Occurrence Count of Hit Search Terms OCC N Y Other Source OS Y N Related Stereoisomer RSI Y (2) N Synonym SY Y N (1) HIT may be used to restrict terms extracted to terms that match the search expression used to create the answer set, e.g., SEL HIT CN (2) HIT is not valid with this field. Sample Records: DISPLAY IDE FA Beilstein Reg. No. (BRN): 1912584 Beilstein Molecular Formula (MF): C6 H F5 O Lin. Struct. Formula (LSF): C6H1F5O Chemical Name (CN): pentafluoro-phenol Pentafluor-phenol Synonym (SY): Pentafluorophenol; for synthesis; PENTAFLUOROPHENOL, 99+ PERCENT; 2,3,4,5,6-Pentafluorophenol, purum >99 percent (GC); pentafluorophenol Autonom Name (AUN): 2,3,4,5,6-pentafluoro-phenol Formula Weight (FW): 184.07 Beilstein Reference (SO): 4-06-00-00782; 5- 6; 6- 6 Lawson Number (LN): 5216 CAS Reg. No. (RN): 771-61-9 Beilstein Pref. RN (BPR): 771-61-9 Other Source (OS): SpecInfo Database; E.Merck, Darmstadt; Aldrich; Fluka; EINECS F . . F. .C: O . . : . .C. : C. : . : . : . . C. :C. . . : . F. .C: .F . . F Field Availability: Code ! Name ! Occur. ! ! (OCC) ========+======================================+========== MF ! Molecular Formula ! 1 LSF ! Linearized Structure Formula ! 1 CN ! Chemical Name ! 2 AUN ! Autonom Name ! 1 FW ! Formula Weight ! 1 SO ! Beilstein Citation ! 3 LN ! Lawson Number ! 1 RN ! CAS Registry Number ! 1 BPR ! Beilstein Preferred RN ! 1 SF ! Stereo Family ! 1 OS ! Other Source ! 5 XREF ! Crossfile Reference ! 5 PRE ! Preparation ! 10 CTSKC ! Skeletal Characteristics ! 1 DM ! Dipole Moment ! 4 CTCPL ! Coupling Phenomena ! 1 EBC ! Energy Barrier of Conformation ! 1 EDIS ! Energy of Dissociation ! 1 IP ! Ionization Potential ! 1 MP ! Melting Point ! 5 CTP ! Crystal Transition Point ! 2 BP ! Boiling Point ! 12 CTLIQ ! Liquid Phase ! 1 CRT ! Critical Temperature ! 1 CRP ! Critical Pressure ! 1 VP ! Vapour Pressure ! 2 LDEN ! Density (liquid) ! 3 HFUS ! Enthalpy of Fusion ! 2 CTCAL ! Calorific Data ! 2 HVAP ! Enthalpy of Vaporization ! 1 HSUB ! Enthalpy of Sublimation ! 1 HPT ! Enthalpy of Phase Transition ! 2 CP ! Heat Capacity Cp ! 3 SREF ! Entropy ! 1 HFOR ! Enthalpy of Formation ! 1 GFOR ! Gibbs Energy of Formation ! 1 HCOM ! Enthalpy of Combustion ! 1 RI ! Refractive Index ! 3 CTOPT ! Optics ! 1 NMRS ! NMR Spectrum ! 2 NMRA ! NMR Absorption ! 6 IRS ! Infrared Spectrum ! 1 IRM ! Infrared Maximum ! 10 EAS ! Electronic Absorption Spectrum ! 1 EAM ! Electronic Absorption Maximum ! 3 CTOSM ! Other Spectroscopic Methods ! 1 CTMS ! Mass Spectrum ! 2 DIC ! Dielectric Constant ! 1 DE ! Dissociation Exponent ! 11 CTGASM ! Gas Phase Behaviour ! 1 CTENEM ! Energy of MCS ! 1 CTASSM ! Association ! 10 REA ! Chemical Reaction ! 40 CDER ! Chemical Derivative ! 18 CTUNCH ! Unchecked Data ! 8 DISPLAY TRIAL Beilstein Registry Number (BRN): 130733 Beilstein Molecular Formula (MF): C4 H9 N5 Chemical Name (CN): 5-ethyl-<1,2,4>triazole-3,4- diyldiamine 5-Aethyl-<1,2,4>triazol-3,4- diyldiamin Formula Weight (FW): 127.15 CAS Registry Number (RN): 89123-39-7 Beilstein Preferred RN (BPR): 89123-39-7 Field Availability: Code !Name !Occur. --------+-------------------------------------------------------+-------- MF !Molecular Formula ! 1 CN !Chemical Name ! 2 FW !Formula Weight ! 1 SO !Beilstein Citation ! 1 LN !Lawson Number ! 1 RN !CAS Registry Number ! 1 BPR !Beilstein Preferred RN ! 1 SF !Stereo Family ! 1 PRE !Preparation ! 1 MP !Melting Point ! 1